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Code for "De novo molecular design with chemical language models"
Notebooks and files from the paper De novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors using Recurrent Neural Network-based Transfer Learning
Protonation and pKa calculation. For more information, please visit: http://compbio.clemson.edu/pka_webserver/
DeltaVina scoring function
This is a machine-learning based protein-ligand scoring function.
Dendroscope program for analyzing and visualizing rooted phylogenetic trees and networks
DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.
Drug Denovo Design using GAN for Daewoong Project
Clustering by fast search and find of density peaks
Differential evolution in R
Find deregulated biomolecular networks
Analysis of TCGA data with DeRegNet
Descriptor computation(chemistry) and (optional) storage for machine learning
Generates volcano plots using an arbitrary number of descriptors.
descriptors for in silico ADME/T modeling
Engineering Materials - Avogadro software simulations.
Code associated with "A Deep-Learning View of Chemical Space Designed to Facilitate Drug Discovery"
DFT-derived force field parameters for carbon dioxide, water, and methane in MOF-74 frameworks.
[NeurIPS 2020] Diversity-Guided Efficient Multi-Objective Optimization With Batch Evaluations
Python package built to ease deep learning on graph, on top of existing DL frameworks.
DIABLO - an integrative multi-group, multi-dataset classification method
Graph and network visualization using tabular data in R.
Accelerated BLAST compatible local sequence aligner.
Diverse Cluster Ensemble in R
development of methods and software for differential enrichment analysis
🤗 Diffusers: State-of-the-art diffusion models for image and audio generation in PyTorch
digitalDLSorteR: An R package to deconvolute bulk RNA-Seq using scRNA-Seq data
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.